SCHEMBL9380436

SCHEMBL9380436

O=C/C=C/[C@H]1O[C@@H]1c1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MDM2 Q00987 8/20 0.36
SLC6A3 Q01959 3/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9380409 0.81 MEN1 (0.37) SLC6A3HTR2AHTR2CHTR2BMEN1
SCHEMBL9378128 0.81 MEN1 (0.37) SLC6A3HTR2AHTR2CHTR2BMEN1
SCHEMBL10372159 0.79 LMNA (0.39) MAPTGAAALDH1A1TSHRMEN1
SCHEMBL9377930 0.79 LMNA (0.39) MAPTGAAALDH1A1TSHRMEN1
SCHEMBL10374320 0.77 DRD2 (0.38) TSHR
SCHEMBL9380385 0.77 MEN1 (0.41) GAAALDH1A1HPGDHTR2AHTR2C
SCHEMBL9378389 0.77 HTR2C (0.40) TSHRHTR2AHTR2CHTR2B
SCHEMBL9382305 0.77 HTR2C (0.40) TSHRHTR2AHTR2CHTR2B
SCHEMBL9377796 0.73 ERN1 (0.40) GAAALDH1A1TSHR
SCHEMBL9384954 0.73 ERN1 (0.40) GAAALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335315-B1 New alkanephenones CIBA GEIGY AG (CH) 1994-06-22 EP disclosed
US-5149717-A Alkanophenones useful for treating allergies CIBA-GEIGY CORPORATION (US) 1992-09-22 US disclosed
EP-0335315-A1 New alkanephenones CIBA-GEIGY AG (CH) 1989-10-04 EP disclosed